Melibiose

Melibiose bmse000233 - Data

Melibiose synonyms

Melibiose, pure; D-Melibiose; MELIBIOSE; D-Gal-alpha1->6D-Glucose; D-Glucose, 6-O-alpha-D-galactopyranosyl-; 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose

Wikipedia:

Graphical representations:

melibiose

View large 3D structure

Molecular Formula: C12H22O11

Natural Isotopic Abundance Mass: 342.2964800000

Mono-Isotopic Molecular Masses:

  • C12N14: 342.116211549
  • C13N14: 354.156469603
  • C12N15: 342.116211549
  • C13N15: 354.156469603

InChI string: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12+/m1/s1

IUPAC: (2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

PubChem Compound (CID): 11458
KEGG Compound ID: C05402
CAS Registry number: 585-99-9
ChEBI: 28053
NSC: 2028
EINECS: 209-568-6

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)